MMsINC Database Search


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MMsINC code: MMs03369165

Type: Neutral
Formula: C₂₃H₁₆N₂

SMILES:

n1c2cc(c3c(c2nc2c1cccc2)cccc3)-c1ccc(cc1)C

InChI:

InChI=1/C23H16N2/c1-15-10-12-16(13-11-15)19-14-22-23(18-7-3-2-6-17(18)19)25-21-9-5-4-8-20(21)24-22/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.176 kcal/mol

Physical Properties
Molecular Weight: 320.395 g/mol	logS: -7.27774	SlogP: 5.91162	Reactive groups: 0

Topological Properties
Globularity: 0.0220752	Sterimol/B1: 3.00098	Sterimol/B2: 3.08412	Sterimol/B3: 3.4953
Sterimol/B4: 8.01934	Sterimol/L: 17.4236

Surface and Volume Properties
Accessible surface: 576.969	Positive charged surface: 312.766	Negative charged surface: 250.415	Volume: 323.375
Hydrophobic surface: 530.263	Hydrophilic surface: 46.706

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.